[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol

C12H14Cl2O2 — CID 66060289

IUPAC[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)ccc2Cl)CCOC1
InChIInChI=1S/C12H14Cl2O2/c13-10-1-2-11(14)9(5-10)6-12(7-15)3-4-16-8-12/h1-2,5,15H,3-4,6-8H2
InChIKeyNHZNXAWEAJVTQL-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.93
Rot. Bonds3

About [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol

[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol (PubChem CID 66060289) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
PubChem CID66060289
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)ccc2Cl)CCOC1
InChIInChI=1S/C12H14Cl2O2/c13-10-1-2-11(14)9(5-10)6-12(7-15)3-4-16-8-12/h1-2,5,15H,3-4,6-8H2
InChIKeyNHZNXAWEAJVTQL-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-chloro-2-fluorophenyl)methyl]oxan-3-yl]methanol
CID 114113402
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66057552
3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
CID 65317527
3-[(4-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)oxolane
CID 114861921
4-[(2,5-dichlorophenyl)methyl]oxane-4-carbonitrile
CID 65393550
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 66057540
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol (CID 66060289) is [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol is OCC1(Cc2cc(Cl)ccc2Cl)CCOC1.
What is the InChIKey of [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is NHZNXAWEAJVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c13-10-1-2-11(14)9(5-10)6-12(7-15)3-4-16-8-12/h1-2,5,15H,3-4,6-8H2.
What are the key properties of [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol?
[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 261.15 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 66060289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).